! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   5.5522486173   0.1142450044   3.2268902733
N   -2.5787450610   0.7210757838   0.4532684812
N   -1.7927071061   1.2056056045   1.4236081556
N   -2.9949713264   2.8544609234   0.4901874103
N   -1.6030180946  -3.4161153447  -1.6912435742
C   -1.4042745047  -0.8942925948  -1.0266828347
C    0.0127664303  -0.6784822653  -0.4533306681
C   -2.5192790564  -0.6514460208   0.0327347302
C   -1.6908709149  -0.0161282725  -2.2410579109
C    0.4219426344  -1.6720713212   0.6354788905
C    1.7063637540  -1.2459485139   1.2889501807
C   -1.5193626660  -2.3016337934  -1.4137656241
C   -1.0888200694   1.2311125413  -2.3767147721
C   -2.6442177242  -0.4053563365  -3.1793665719
C    1.7038037784  -0.2378815044   2.2509306611
C    2.9227557913  -1.8196475270   0.9355923452
C   -1.4254250249   2.0649528884  -3.4344377736
C   -2.9765742742   0.4255936768  -4.2383881726
C   -3.2749784680   1.7182996227  -0.0975005909
C   -2.3674522524   1.6656377906  -4.3697900803
C    2.8784635364   0.1857184985   2.8513801677
C    4.1106478645  -1.4081521521   1.5245670674
C   -2.0811886383   2.4805254993   1.4062488441
C    4.0760026185  -0.4067539655   2.4801316752
H    0.0700476074   0.3315354600  -0.0496516794
H    0.7284756558  -0.7294851502  -1.2760233535
H   -3.4866065656  -0.9151348874  -0.3916262728
H   -2.3697440182  -1.2759976780   0.9109075688
H    0.5430421169  -2.6690044524   0.2073313985
H   -0.3544972812  -1.7493740920   1.3996933627
H   -0.3554418171   1.5759706481  -1.6609206560
H   -3.1409525677  -1.3645342260  -3.0953494731
H    0.7679428934   0.2268086198   2.5384949868
H    2.9525297533  -2.6049866385   0.1904832040
H   -0.9475338548   3.0314853998  -3.5215742106
H   -3.7137268292   0.1007912727  -4.9604275409
H   -3.9813264355   1.5671546035  -0.8983029039
H   -2.6267340629   2.3155282026  -5.1948243741
H    2.8567788326   0.9649861068   3.6008181295
H    5.0470287194  -1.8677721409   1.2392239960
H   -1.6163129371   3.1710641523   2.0919518151
*